欢迎登录材料期刊网

材料期刊网

高级检索

改进嵌入原子法是基于原子层次的半经验理论方法,广泛应用于纯金属元素和二元、三元合金体系的计算模拟.针对不同的物理性质对近几年改进嵌入原子法在合金计算方面的研究成果进行了归纳分析.改进嵌入原子法较为精确地反映了合金的各项物理性质,将会得到更为广泛的应用.

参考文献

[1] Leach A R.Molecular modelling:Principles and applica-tions[M].England:Prentice Hall,2001:26.
[2] Daw M S;Baskes M I .Semiempirical,quantum mechanical calculation of hydrogen embrittlement[J].Physical Review Letters,1983,50:1285.
[3] Daw M S;Baskes M I .Eebedded-atom method:Derivation and application to impurities,surface,and other defects in metals[J].Physical Review B:Condensed Matter,1984,29:6443.
[4] Baskes M I .Modified embedded-atom potentials for cubic materials and impurities[J].Physical Review B:Condensed Matter,1992,46:2727.
[5] Lee BJ.;Baskes MI. .Second nearest-neighbor modified embedded-atom-method potential[J].Physical Review.B.Condensed Matter,2000(13):8564-8567.
[6] Lee B J;Baskes M I;Kim H et al.Second nearest-neigh-bor modified embedded-atom-method potentials for bec tran-sition metals[J].Physical Review B:Condensed Matter,2001,64:184102.
[7] 张邦维;胡望宇;舒小林.嵌入原子方法理论及其在材料科学中的应用[M].长沙:湖南大学出版社,2002:199.
[8] Kim Y M;Shin Y H;Lee B J .Modified embeded-atom method interatomic potentials for pure Mn and the Fe-Mn system[J].Acta Materialia,2009,57:474.
[9] YU Hangjiang;Sun Fengjiu .A modified embeded atom method interatomic potential for the Ti-N system[J].Phy-sica B,2009,404:1692.
[10] Luyten J;Keyzer D;Wollants P et al.Construction of modified embedded atom method potentials for the study of the bulk phase behaviour in binary Pt-Rh,Pt-Pd,Pd-Rh and ternary Pt-Pd-Rh alloys[J].J Calphad,2008,33:370.
[11] Kang K H;Sa I;Lee J C et al.Atomistic modeling of the Cu-Zr-Ag bulk metallic glass system[J].Ser Materialia,2009,61:801.
[12] Kim Y M;Kim N J;Lee B J .Atomistic modeling of pure Mg and Mg-Al systems[J].J Catphad,2009,33:650.
[13] Kim Y M;Lee B J .Modified embedded-atom method inte-ratomic potentials for the Ti-C and Ti-N binary systems[J].Acta Materialia,2008,56:3481.
[14] Sa I;Lee B J .Modified embedded-atom method interatomic potentials for the Fe-Nb and Fe-Ti binary systems[J].Scripta Materialia,2008,59:595.
[15] Lee B J;Jang J W .A modified embedded-atom method in-teratomic potential for the Fe-H system[J].Acta Materia-lia,2007,55:6779.
[16] Lee B J .A modified embedded-atom method interatomic po-tential for the Fe-C system[J].Acta Materialia,2006,54:701.
[17] Lee B J;Lee T H;Kin S J .A modified embedded-atom method interatomic potential for the Fe-N system:A com-parative study with the Fe-C system[J].Acta Materialia,2006,54:4597.
[18] Lee B J;Shim J H .A modified embedded-atom method in-teratumic potential for the Cu-Ni system[J].J Calphad,2004,28:125.
[19] Park S;Lee B J;Lee H M .Estimation of order-disorder transition temperature in Pt-Co alloy by monte-carlo simula-tion using modified embedded atom method[J].Scr Materia-lia,2001,45:495.
[20] Gall K;Horstemeyer M F;Schilfgaarde M V et al.Ato-mistic simulations on the tensile debonding of an alumium-silicon interface[J].Journal of the Mechanics and Physics of Solids,2000,48:2183.
[21] Baskes M I .Application of the embedded-atom method to covalent materials:A semiempirical potential for silicon[J].Physical Review Letters,1987,59:2666.
上一张 下一张
上一张 下一张
计量
  • 下载量()
  • 访问量()
文章评分
  • 您的评分:
  • 1
    0%
  • 2
    0%
  • 3
    0%
  • 4
    0%
  • 5
    0%